CID 67742

Pentafluoropropionic anhydride

Structural Information

Molecular Formula

C₆F₁₀O₃

SMILES

C(=O)(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F

InChI

InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16

InChIKey

XETRHNFRKCNWAJ-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 85
References: 2790
Patents: 309.96878 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.97606	149.0
[M+Na]+	332.95800	158.7
[M-H]-	308.96150	137.9
[M+NH4]+	328.00260	163.0
[M+K]+	348.93194	157.3
[M+H-H2O]+	292.96604	137.8
[M+HCOO]-	354.96698	155.2
[M+CH3COO]-	368.98263	201.1
[M+Na-2H]-	330.94345	151.8
[M]+	309.96823	135.6
[M]-	309.96933	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe